1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine

C22H30N4O — CID 111047150

IUPAC1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
SMILESCOc1cccc(N/C(N)=N/Cc2ccccc2CN2CCCCC2C)c1
InChIInChI=1S/C22H30N4O/c1-17-8-5-6-13-26(17)16-19-10-4-3-9-18(19)15-24-22(23)25-20-11-7-12-21(14-20)27-2/h3-4,7,9-12,14,17H,5-6,8,13,15-16H2,1-2H3,(H3,23,24,25)
InChIKeyYQIDARQDUCRZKV-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.00
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine

1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine (PubChem CID 111047150) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
PubChem CID111047150
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
SMILESCOc1cccc(N/C(N)=N/Cc2ccccc2CN2CCCCC2C)c1
InChIInChI=1S/C22H30N4O/c1-17-8-5-6-13-26(17)16-19-10-4-3-9-18(19)15-24-22(23)25-20-11-7-12-21(14-20)27-2/h3-4,7,9-12,14,17H,5-6,8,13,15-16H2,1-2H3,(H3,23,24,25)
InChIKeyYQIDARQDUCRZKV-UHFFFAOYSA-N
XLogP4.00
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111036630
2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylguanidine
CID 111047170
2-[[2-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111053898
1-(1-methoxypropan-2-yl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047209
2-[(2-ethoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111044251
1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026909
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111087103
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047098
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111813337
1-(3-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086732

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine (CID 111047150) is 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine is COc1cccc(N/C(N)=N/Cc2ccccc2CN2CCCCC2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The InChIKey is YQIDARQDUCRZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-8-5-6-13-26(17)16-19-10-4-3-9-18(19)15-24-22(23)25-20-11-7-12-21(14-20)27-2/h3-4,7,9-12,14,17H,5-6,8,13,15-16H2,1-2H3,(H3,23,24,25).
What are the key properties of 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111047150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).